- InChI
- InChI=1S/C8H3ClF3N3O2/c9-3-1-2-4-5(6(3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)
- InChI Key
- RGHCRDDIYJEAFI-UHFFFAOYSA-N
- Formula
- C8H3ClF3N3O2
- SMILES
-
O=[N+]([O-])c1c(Cl)ccc2[nH]c(C
(F)(F)F)nc12 - Molecular Weight1
- 265.58
- CAS
- 6609-39-8
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6124 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -465.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 139.590 | ml/mol | McGowan Calculated Property |
| Pc | 3049.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 571.30 | K | Relay (1.0) Calculated Property |
| Tc | 879.25 | K | Relay (1.0) Calculated Property |
| Tfus | 447.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzimidazole, 5-chloro-4-nitro-2-(trifluoromethyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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